0 mol 24 unq 0 iso 0 dist 8.48944 8.65417 7.96195 12.5434 4.44526 9.22115 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.48944 8.65417 7.96195 11.8259 9.586 9.15493 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.6834 11.8013 8.24948 6.2838 5.80953 6.99746 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 4.29713 10.7817 7.56029 7.50942 6.21128 4.85777 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 4.29713 10.7817 7.56029 12.6976 9.57024 4.02147 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 7.10218 7.65955 5.17145 15.0981 8.4701 9.43915 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 7.49235 7.46124 7.8435 12.8733 9.19977 15.8624 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 7.49235 7.46124 7.8435 11.3276 7.28831 14.7862 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 7.49235 7.46124 7.8435 7.81661 9.71411 9.42916 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.91797 9.74702 6.83746 6.3915 9.25444 14.6934 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.91797 9.74702 6.83746 5.081 8.46823 11.4207 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 5.91797 10.213 9.14707 6.3915 9.25444 16.2968 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 5.91797 10.213 9.14707 5.081 8.46823 8.26478 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 6.37954 10.7165 8.75597 6.3915 9.84703 8.02554 numMergedOcc 0
14 mol 98 unq 5 iso 0 dist 6.37954 10.7165 8.75597 5.081 4.62494 11.2092 numMergedOcc 0
15 mol 98 unq 6 iso 0 dist 6.37954 10.213 9.18457 6.3915 9.84703 16.2968 numMergedOcc 0
16 mol 98 unq 7 iso 0 dist 6.37954 10.213 9.18457 5.081 4.62494 8.26478 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 8.7231 5.8592 6.78801 5.7124 7.75314 5.66194 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 5.05627 4.86119 6.77921 4.96213 6.65731 5.38571 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 9.11314 11.3023 8.612 5.39614 5.06564 6.60479 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 9.11314 11.3023 8.612 7.44842 7.5373 7.54337 numMergedOcc 0
21 mol 188 unq 0 iso 0 dist 8.01604 9.09717 7.79115 5.58576 8.66624 5.0782 numMergedOcc 0
22 mol 188 unq 1 iso 0 dist 7.03264 10.3393 7.79115 9.66868 8.66624 5.0782 numMergedOcc 0
23 mol 195 unq 0 iso 0 dist 6.27266 9.33058 6.34234 6.31156 6.22742 6.0634 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 9.73257 5.644 9.08151 11.3445 7.77911 9.35405 numMergedOcc 0
25 mol 252 unq 0 iso 0 dist 7.95045 11.5778 9.39658 10.6643 8.09509 17.2823 numMergedOcc 0
26 mol 252 unq 1 iso 0 dist 7.95045 5.63924 5.9974 10.6643 8.09509 12.0545 numMergedOcc 0
27 mol 260 unq 0 iso 0 dist 6.19564 9.39438 9.50634 8.565 9.31888 7.16782 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 9.88198 11.9209 5.81528 14.8531 7.17958 8.43508 numMergedOcc 0
